UCSF

ZINC25048341

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 6.22 -44.35 1 5 -1 77 393.504 6
Mid Mid (pH 6-8) 3.66 6.21 -12.58 2 5 0 75 394.512 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )